N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(phenylsulfonyl)pyridazin-3-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(phenylsulfonyl)pyridazin-3-amine Openeye Name: 6-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine CAS Name: 6-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridazinamine IUPAC Name: 6-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine Traditional Name: (6-besylpyridazin-3-yl)-homoveratryl-amine Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NN=C(C=C2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NN=C(C=C2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H21N3O4S/c1-26-17-9-8-15(14-18(17)27-2)12-13-21-19-10-11-20(23-22-19)28(24,25)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,21,22)